1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine

C12H18N4O — CID 62688040

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1cc(N)n(CCN(C)C)n1
InChIInChI=1S/C12H18N4O/c1-9-10(4-7-17-9)11-8-12(13)16(14-11)6-5-15(2)3/h4,7-8H,5-6,13H2,1-3H3
InChIKeyNWAYIVQXLFUMDJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.60
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine

1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine (PubChem CID 62688040) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
PubChem CID62688040
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1cc(N)n(CCN(C)C)n1
InChIInChI=1S/C12H18N4O/c1-9-10(4-7-17-9)11-8-12(13)16(14-11)6-5-15(2)3/h4,7-8H,5-6,13H2,1-3H3
InChIKeyNWAYIVQXLFUMDJ-UHFFFAOYSA-N
XLogP1.60
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylfuran-3-yl)methanamine
CID 53554478
2-[5-[(5-Ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 71969720
2-[5-[(4-Fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 75388911
2-[5-[(2,5-Dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 75438030
6-(furan-3-yl)-4-[(2S)-2-methylpyrrolidin-1-yl]pyridazin-3-amine
CID 172438898
3-(furan-2-yl)-1-methyl-1H-pyrazol-5-amine
CID 4737046
2-(5-amino-3-(2-methylfuran-3-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 16228567
4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide
CID 71933977
N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide
CID 71935022
1-[(2-Fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine
CID 12018220
1-[(2-Fluorophenyl)methyl]-3-(furan-2-yl)-4-isocyanopyrazol-5-amine
CID 23381171
1-[(2-Fluorophenyl)methyl]-5-(furan-3-yl)pyrazole-3-carboximidamide
CID 118553379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine (CID 62688040) is 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine is Cc1occc1-c1cc(N)n(CCN(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The InChIKey is NWAYIVQXLFUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-10(4-7-17-9)11-8-12(13)16(14-11)6-5-15(2)3/h4,7-8H,5-6,13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine?
1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine has a molecular weight of 234.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine is sourced from PubChem (CID 62688040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).